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RESEARCH PRODUCT
Prediction of new inorganic molecules with quantum chemical methods
Laura Gagliardisubject
Quantum chemicalActinide chemistryCASPT2ChemistryActinideQuantum chemistryActinidesMetalChemical bondChemical physicsvisual_artddc:540Halogenvisual_art.visual_art_mediumMoleculeMetal-polynitrogen clustersMetal polyhydridesGoldPhysical and Theoretical Chemistrydescription
Quantum chemistry can today be employed to invent new molecules and explore unknown molecular bonding. An overview of novel species containing metals bound to polynitrogen clusters is presented. The prediction of metal polyhydrides is discussed. Finally, some species containing gold that behaves as a halogen are described, together with recent advances in actinide chemistry and exploration of the nature of the actinide–actinide chemical bonding.
year | journal | country | edition | language |
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2006-01-01 |